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{
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{
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"structure_string": "Ba1 H3 I1 O6\n1.0\n3.920646 2.197852 2.456546\n-3.890109 2.112916 2.485545\n-0.058180 -4.398924 2.553507\nBa H I O\n1 3 1 6\ndirect\n0.003514 0.002248 0.002979 Ba\n0.381622 0.649791 0.942943 H\n0.935106 0.399025 0.646368 H\n0.612066 0.062483 0.353874 H\n0.488080 0.507776 0.488212 I\n0.439260 0.758791 0.795290 O\n0.784386 0.420364 0.749911 O\n0.748244 0.789496 0.428150 O\n0.223527 0.255769 0.584104 O\n0.248263 0.570855 0.202998 O\n0.575932 0.213402 0.245172 O\n",
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{
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"structure_string": "Mg8 S8 O24\n1.0\n11.991900 0.000000 0.000000\n0.000000 5.345052 0.000000\n0.000000 1.389809 7.973213\nMg S O\n8 8 24\ndirect\n0.421280 0.331336 0.881922 Mg\n0.756236 0.120519 0.846203 Mg\n0.256236 0.879481 0.653797 Mg\n0.921280 0.668664 0.618078 Mg\n0.078720 0.331336 0.381922 Mg\n0.743764 0.120519 0.346203 Mg\n0.243764 0.879481 0.153797 Mg\n0.578720 0.668664 0.118078 Mg\n0.173880 0.475385 0.984480 S\n0.521415 0.911661 0.742843 S\n0.021415 0.088339 0.757157 S\n0.673880 0.524615 0.515520 S\n0.326120 0.475385 0.484480 S\n0.978585 0.911661 0.242843 S\n0.478585 0.088339 0.257157 S\n0.826120 0.524615 0.015520 S\n0.261447 0.255941 0.998568 O\n0.242187 0.721017 0.918622 O\n0.517654 0.661813 0.871849 O\n0.843935 0.474879 0.833664 O\n0.902147 0.973444 0.760432 O\n0.581729 0.097714 0.842843 O\n0.081729 0.902286 0.657157 O\n0.402147 0.026556 0.739568 O\n0.343935 0.525121 0.666336 O\n0.017654 0.338187 0.628151 O\n0.742187 0.278983 0.581378 O\n0.761447 0.744059 0.501432 O\n0.238553 0.255941 0.498568 O\n0.257813 0.721017 0.418622 O\n0.982346 0.661813 0.371849 O\n0.656065 0.474879 0.333664 O\n0.597853 0.973444 0.260432 O\n0.918271 0.097714 0.342843 O\n0.418271 0.902286 0.157157 O\n0.097853 0.026556 0.239568 O\n0.156065 0.525121 0.166336 O\n0.482346 0.338187 0.128151 O\n0.757813 0.278983 0.081378 O\n0.738553 0.744059 0.001432 O\n",
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{
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"created_at": "2022-09-04T14:44:21.678897Z",
"structure_string": "La4 Be4 Ge2 O14\n1.0\n7.725482 0.000000 0.000000\n0.000000 7.725482 0.000000\n0.000000 0.000000 4.991749\nLa Be Ge O\n4 4 2 14\ndirect\n0.660886 0.839114 0.501466 La\n0.160886 0.660886 0.498534 La\n0.839114 0.339114 0.498534 La\n0.339114 0.160886 0.501466 La\n0.366930 0.866930 0.037811 Be\n0.866930 0.633070 0.962189 Be\n0.633070 0.133070 0.037811 Be\n0.133070 0.366930 0.962189 Be\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.921816 0.826194 0.801280 O\n0.173806 0.921816 0.198720 O\n0.578184 0.326194 0.198720 O\n0.421816 0.673806 0.198720 O\n0.326194 0.421816 0.801280 O\n0.673806 0.578184 0.801280 O\n0.000000 0.500000 0.833766 O\n0.500000 0.000000 0.166234 O\n0.142613 0.357387 0.280903 O\n0.642613 0.142613 0.719097 O\n0.357387 0.857387 0.719097 O\n0.857387 0.642613 0.280903 O\n0.078184 0.173806 0.801280 O\n0.826194 0.078184 0.198720 O\n",
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"elements": [
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{
"id": "mp-727579",
"created_at": "2022-09-04T14:44:28.848456Z",
"structure_string": "Mo12 H20 N4 Cl28 O2\n1.0\n8.082929 10.473890 0.000000\n-8.082929 10.473890 0.000000\n0.000000 4.063189 9.027428\nMo H N Cl O\n12 20 4 28 2\ndirect\n0.938394 0.688365 0.432769 Mo\n0.688365 0.938394 0.932769 Mo\n0.064840 0.307807 0.562817 Mo\n0.307807 0.064840 0.062817 Mo\n0.838629 0.473791 0.694161 Mo\n0.473791 0.838629 0.194161 Mo\n0.164067 0.525154 0.304960 Mo\n0.525154 0.164067 0.804960 Mo\n0.087519 0.521419 0.672118 Mo\n0.521419 0.087519 0.172118 Mo\n0.914478 0.479124 0.328677 Mo\n0.479124 0.914478 0.828677 Mo\n0.483296 0.482256 0.220804 H\n0.482255 0.483296 0.720804 H\n0.621259 0.455853 0.179185 H\n0.455853 0.621259 0.679185 H\n0.549608 0.351962 0.258972 H\n0.351962 0.549608 0.758972 H\n0.548608 0.434690 0.357071 H\n0.434690 0.548608 0.857071 H\n0.970183 0.969741 0.118903 H\n0.969741 0.970183 0.618903 H\n0.041099 0.038609 0.950669 H\n0.038609 0.041099 0.450669 H\n0.924028 0.003456 0.966775 H\n0.003456 0.924028 0.466775 H\n0.926206 0.099584 0.050256 H\n0.099584 0.926206 0.550256 H\n0.168508 0.754771 0.805493 H\n0.754771 0.168508 0.305493 H\n0.253732 0.831389 0.742713 H\n0.831389 0.253732 0.242713 H\n0.550456 0.432199 0.253249 N\n0.432199 0.550456 0.753249 N\n0.965281 0.028589 0.020683 N\n0.028589 0.965281 0.520683 N\n0.042784 0.676465 0.171967 Cl\n0.676465 0.042784 0.671967 Cl\n0.969887 0.381903 0.851259 Cl\n0.381903 0.969887 0.351259 Cl\n0.854416 0.655601 0.710395 Cl\n0.655601 0.854416 0.210395 Cl\n0.107845 0.393380 0.220733 Cl\n0.393380 0.107845 0.720733 Cl\n0.747232 0.570805 0.488367 Cl\n0.570805 0.747232 0.988367 Cl\n0.248685 0.368690 0.482118 Cl\n0.368690 0.248685 0.982118 Cl\n0.177732 0.652404 0.440050 Cl\n0.652404 0.177732 0.940050 Cl\n0.864188 0.299077 0.626450 Cl\n0.299077 0.864188 0.126450 Cl\n0.896360 0.887977 0.364761 Cl\n0.887977 0.896360 0.864761 Cl\n0.117025 0.112452 0.654242 Cl\n0.112452 0.117025 0.154242 Cl\n0.670337 0.457580 0.884606 Cl\n0.457580 0.670337 0.384606 Cl\n0.337528 0.549967 0.120181 Cl\n0.549967 0.337528 0.620181 Cl\n0.816208 0.445814 0.180936 Cl\n0.445814 0.816208 0.680936 Cl\n0.177840 0.553580 0.832114 Cl\n0.553580 0.177840 0.332114 Cl\n0.176054 0.830932 0.761408 O\n0.830932 0.176054 0.261408 O\n",
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"structure_string": "Ba1 Mg6 Co1 O8\n1.0\n8.752177 0.000000 0.000000\n0.000000 4.683884 0.000000\n0.000000 0.000000 4.683884\nBa Mg Co O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.233031 0.000000 0.500000 Mg\n0.766969 0.000000 0.500000 Mg\n0.233031 0.500000 0.000000 Mg\n0.766969 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Co\n0.217261 0.000000 0.000000 O\n0.782739 0.000000 0.000000 O\n0.247996 0.500000 0.500000 O\n0.752004 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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{
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{
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{
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